5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid

C19H12N2O4 — CID 22285136

IUPAC5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
SMILESO=Cc1ccc2c(c1)cc(-c1cc3ccccc3[nH]c1=O)n2C(=O)O
InChIInChI=1S/C19H12N2O4/c22-10-11-5-6-16-13(7-11)9-17(21(16)19(24)25)14-8-12-3-1-2-4-15(12)20-18(14)23/h1-10H,(H,20,23)(H,24,25)
InChIKeyFZXVPRZUHFDWLU-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.49
Rot. Bonds2

About 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid

5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid (PubChem CID 22285136) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid.

Molecular Properties

Compound Name5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
PubChem CID22285136
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
SMILESO=Cc1ccc2c(c1)cc(-c1cc3ccccc3[nH]c1=O)n2C(=O)O
InChIInChI=1S/C19H12N2O4/c22-10-11-5-6-16-13(7-11)9-17(21(16)19(24)25)14-8-12-3-1-2-4-15(12)20-18(14)23/h1-10H,(H,20,23)(H,24,25)
InChIKeyFZXVPRZUHFDWLU-UHFFFAOYSA-N
XLogP3.49
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 6-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate
CID 20821658
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
CID 22285145
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
CID 22341793
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
CID 155962167
2-oxo-1H-quinoline-6-carbaldehyde
CID 11816137
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-hydroxy-1H-quinolin-2-one
CID 818159
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 12867118
5-formyl-1-methylindole-2-carboxylic acid
CID 82396968

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
The IUPAC name of 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid (CID 22285136) is 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid.
What is the SMILES notation for 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
The canonical SMILES for 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid is O=Cc1ccc2c(c1)cc(-c1cc3ccccc3[nH]c1=O)n2C(=O)O.
What is the InChIKey of 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
The InChIKey is FZXVPRZUHFDWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-10-11-5-6-16-13(7-11)9-17(21(16)19(24)25)14-8-12-3-1-2-4-15(12)20-18(14)23/h1-10H,(H,20,23)(H,24,25).
What are the key properties of 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid is sourced from PubChem (CID 22285136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).